2-[(2,3-dimethoxyphenyl)methyl-methyl-amino]-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone

Systemtic Name: 2-[(2,3-dimethoxyphenyl)methyl-methyl-amino]-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone Openeye Name: 2-[(2,3-dimethoxyphenyl)methyl-methyl-amino]-1-[4-(2-naphthylsulfonyl)piperazin-1-yl]ethanone CAS Name: 2-[(2,3-dimethoxyphenyl)methyl-methylamino]-1-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]ethanone IUPAC Name: 2-[(2,3-dimethoxyphenyl)methyl-methylamino]-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone Traditional Name: 2-[methyl(o-veratryl)amino]-1-[4-(2-naphthylsulfonyl)piperazino]ethanone Formula: C26H31N3O5S MolecularWeight: 497.60644

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C(C(=CC=C1)OC)OC)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CN(CC1=C(C(=CC=C1)OC)OC)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C26H31N3O5S/c1-27(18-22-9-6-10-24(33-2)26(22)34-3)19-25(30)28-13-15-29(16-14-28)35(31,32)23-12-11-20-7-4-5-8-21(20)17-23/h4-12,17H,13-16,18-19H2,1-3H3